libint error for HFX (error: CP2K and libint were compiled with different LIBINT_MAX_AM)

[Daniele Fontanari]

Hello everyone,

On my university cluster I have CP2K installed (by the admins using the 
packaged version for debian I think, I'm having problems to do it by 
source) and If I try to run the test 
"QS/regtest-hybrid-1/H2O-hybrid-pbe0.inp" I get the error in the title (and 
the same if try to generate a simple input using pbe0)

I can provide more informations if you tell me which command to run, for 
the moment:

$dpkg-query -l | grep -e "libint" -e "cp2k"
ii  cp2k                                   
4.1-1+b1                          amd64        Ab Initio Molecular Dynamics
ii  cp2k-data                              
4.1-1                             all          Ab Initio Molecular Dynamics 
(data files)
ii  libint1                                
1.1.6-2+b1                        amd64        Evaluate the integrals in 
modern atomic and molecular theory

and the header in the output file reads:

 DBCSR| Multiplication driver                                               
BLAS
 DBCSR| Multrec recursion 
limit                                              512
 DBCSR| Multiplication stack size                                           
1000
 DBCSR| Maximum elements for images                                    
UNLIMITED
 DBCSR| Multiplicative factor virtual 
images                                   1
 DBCSR| Randmat seed                                                    
12341313
 DBCSR| Multiplication size 
stacks                                             3
 DBCSR| Number of 3D layers                                               
SINGLE
 DBCSR| Use MPI memory 
allocation                                              T
 DBCSR| Use RMA 
algorithm                                                      F
 DBCSR| Use Communication 
thread                                               T
 DBCSR| Communication thread 
load                                             87
...
...
...
 CP2K| version string:                                          CP2K 
version 4.1
 CP2K| source code revision number:                                    
svn:17462
 CP2K| cp2kflags: libint fftw3 libxc elpa3 parallel mpi3 
scalapack              
 CP2K| is freely available from                            
https://www.cp2k.org/
 CP2K| Program compiled at                          Fri Mar 17 00:36:25 UTC 
2017
 CP2K| Program compiled on                                            
x86-ubc-01
 CP2K| Program compiled for                                
Linux-x86_64-gfortran
 CP2K| Data directory path                                       
/usr/share/cp2k
 CP2K| Input file name                                       
H2O-hybrid-pbe0.inp

I was wondering if the error is known/fixed (I really think that the admins 
just installed cp2k without compiling it by hand through the package 
manager) so it might be sufficient to re-download it or if there is a 
possible workaround?

Cheers

Daniele 
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